a-r-j / grapheinLinks
Protein Graph Library
☆1,113Updated last month
Alternatives and similar repositories for graphein
Users that are interested in graphein are comparing it to the libraries listed below
Sorting:
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,292Updated 3 months ago
- Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science☆1,130Updated 3 weeks ago
- Python package for graph neural networks in chemistry and biology☆762Updated last year
- Listing of papers about machine learning for proteins.☆1,643Updated last year
- A powerful and flexible machine learning platform for drug discovery☆1,527Updated 11 months ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆672Updated last year
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆511Updated 5 months ago
- A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)☆1,070Updated last year
- Get protein embeddings from protein sequences☆495Updated 2 years ago
- ☆542Updated 4 months ago
- ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit a…☆1,234Updated 2 months ago
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆783Updated 2 months ago
- Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…☆712Updated 2 years ago
- A deep learning framework for molecular docking☆746Updated 3 weeks ago
- Molecular Processing Made Easy.☆508Updated last year
- A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)☆748Updated last year
- Graph neural networks for molecular design.☆372Updated 2 years ago
- bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.☆466Updated 9 months ago
- An all-atom protein structure dataset for machine learning.☆355Updated last year
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆895Updated 3 weeks ago
- Making Protein Design accessible to all via Google Colab!☆764Updated last month
- Diffusion models of protein structure; trigonometry and attention are all you need!☆549Updated last year
- A comprehensive library for computational molecular biology☆835Updated this week
- Benchmarks for generative chemistry☆466Updated last year
- Generation of protein sequences and evolutionary alignments via discrete diffusion models☆621Updated 2 months ago
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆595Updated 11 months ago
- Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models☆912Updated last year
- OmegaFold Release Code☆591Updated 2 years ago
- A generative model for programmable protein design☆750Updated last year
- Code for the ProteinMPNN paper☆1,388Updated 11 months ago